SCHEMBL4306986

SCHEMBL4306986

C#CC(CCC(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
BLM P54132 1/20 0.38
CA1 P00915 2/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
GABRR1 P24046 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
CYP1A2 P05177 1/20 0.33
SLC7A5 Q01650 1/20 0.33
TP53 P04637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4301199 0.79
SCHEMBL1419497 0.77 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1BLMCA1
SCHEMBL4338846 0.76 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1BLMCA1
SCHEMBL11306389 0.74
SCHEMBL16836648 0.74 CYP2D6 (0.56) SLC1A3SLC1A2SLC1A1CYP2D6NFKB1
SCHEMBL23829652 0.74 GPR84 (0.50) SLC1A2SLC1A1CA1MAPT
SCHEMBL3103684 0.73
SCHEMBL1712974 0.71 LMNA (0.47) SLC1A3SLC1A2SLC1A1CYP2D6NFKB1
SCHEMBL31693556 0.71 CYP2D6 (0.33) CYP2D6NFKB1LMNAMAPT
SCHEMBL8847127 0.70 GRIK1 (0.50) SLC1A3SLC1A2SLC1A1BLMCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1772924-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY UBE INDUSTRIES (JP) 2013-04-10 EP disclosed
US-7629085-B2 sulfur-containing acid ester and an alkyne-containing compound; excellent battery characteristics in cycle performance, electric capacity and storage property; e.g. 2-propynyl methyl carbonate and 1,3-propanesultone UBE INDUSTRIES, LTD. (JP) 2009-12-08 US disclosed
US-20070231707-A1 Nonaqueous Electrolytic Solution and Lithium Secondary Battery MU IONIC SOLUTIONS CORPORATION (JP) 2007-10-04 US disclosed
EP-1772924-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2007-04-11 EP disclosed